Information card for entry 4334175

Structure parameters

• Formula: C44 H51 Er N6 O15 P2
• Calculated formula: C44 H51 Er N6 O15 P2
• SMILES: [Er]12345([O]=n6c(cccc6[C@H](P(=[O]1)(c1ccccc1)c1ccccc1)C(=O)N(CC)CC)[C@@H](P(=[O]2)(c1ccccc1)c1ccccc1)C(=O)N(CC)CC)([O]=N(=O)O3)([O]=N(=O)O4)ON(=[O]5)=O.O=C(C)C
• Title of publication: Synthesis, Lanthanide Coordination Chemistry, and Liquid-Liquid Extraction Performance of CMPO-Decorated Pyridine and Pyridine N-Oxide Platforms
• Authors of publication: Daniel Rosario-Amorin; Sabrina Ouizem; Diane A. Dickie; Yufeng Wen; Robert T. Paine; Jian Gao; John K. Grey; Ana de Bettencourt-Dias; Benjamin P. Hay; Laetitia H. Delmau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3063 - 3083
• a: 14.1511 ± 0.0004 Å
• b: 20.7534 ± 0.0005 Å
• c: 17.7301 ± 0.0004 Å
• α: 90°
• β: 111.823 ± 0.001°
• γ: 90°
• Cell volume: 4833.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No